methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate

C13H25NO2 — CID 79047361

IUPACmethyl 2-(2-cyclohexylethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCCC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16-3)14-10-9-11-7-5-4-6-8-11/h11,14H,4-10H2,1-3H3
InChIKeyWKKACKYDNUGEFH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate

methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate (PubChem CID 79047361) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclohexylethylamino)-2-methylpropanoate
PubChem CID79047361
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-(2-cyclohexylethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCCC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16-3)14-10-9-11-7-5-4-6-8-11/h11,14H,4-10H2,1-3H3
InChIKeyWKKACKYDNUGEFH-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
CID 115128640
2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
CID 115001166
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
CID 107251984
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
CID 115174490
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate (CID 79047361) is methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate is COC(=O)C(C)(C)NCCC1CCCCC1.
What is the InChIKey of methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate?
The InChIKey is WKKACKYDNUGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,12(15)16-3)14-10-9-11-7-5-4-6-8-11/h11,14H,4-10H2,1-3H3.
What are the key properties of methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate?
methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate is sourced from PubChem (CID 79047361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).